Compound Detail
CHEMBL1095223
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Basic Information
| ChEMBL ID | CHEMBL1095223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMUNEMBHFZAION-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.4
MW (Da)
2.35
ALogP
4
HBA
2
HBD
102.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 6.7 | 6.2 | 200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 200.0 | nM | 6.7 | Antagonist activity at AR in bicalutamide-resistant human LNCAP cells assessed a... | 20381361 |
| Androgen receptor | IC50 | = | 800.0 | nM | 6.1 | Displacement of [3H]mibolerone from human AR expressed in CHO-K1 cells after 2 h... | 20381361 |
| Androgen receptor | IC50 | = | 1600.0 | nM | 5.8 | Antagonist activity at AR in human LNCAP cells assessed as effect on cell prolif... | 20381361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20381361 | 10.1016/j.bmc.2010.03.036 | Androgen receptor | 7 |
Data from ChEMBL 36 via Core Engine